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Monte Carlo simulation of supercooled liquids using a self-consistent local temperature
Authors:Ralph V. Chamberlin  Kurt J. Stangel
Affiliation:

Department of Physics and Astronomy, Arizona State University, Tempe, AZ 85287-1504, USA

Abstract:
We combine Creutz energy conservation with Kawasaki spin exchange to simulate the microcanonical dynamics of a system of interacting particles. Relaxation occurs via Glauber spin-flip activation using a self-consistent temperature. Heterogeneity in the dynamics comes from finite-size constraints on the spin exchange that yield a distribution of correlated regions. The simulation produces a high-frequency response that can be identified with the boson peak, and a lower-frequency peak that contains non-Debye relaxation and non-Arrhenius activation, similar to the primary response of supercooled liquids.
Keywords:Nanothermodynamics   Supercooled liquids   Monte Carlo simulation   Microcanonical ensemble
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